UCSF

ZINC54931466

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 12 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 5.12 -110.54 3 2 2 21 170.3 2
Hi High (pH 8-9.5) 1.81 2.93 -36.36 2 2 1 20 169.292 2
Hi High (pH 8-9.5) 1.81 1.26 -0.88 1 2 0 15 168.284 2
Mid Mid (pH 6-8) 1.81 3.42 -31.52 2 2 1 16 169.292 2

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.